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126293-44-5 | 4H-Imidazol-4-one, 5-[(2-bromophenyl)methylene]-3-[[(4-bromophenyl)methylene]amino]-3,5-dihydro-2-phenyl-
CAS No: 126293-44-5 Catalog No: AG000SHR MDL No:
Product Description
Catalog Number:
AG000SHR
Chemical Name:
4H-Imidazol-4-one, 5-[(2-bromophenyl)methylene]-3-[[(4-bromophenyl)methylene]amino]-3,5-dihydro-2-phenyl-
CAS Number:
126293-44-5
Molecular Formula:
C23H15Br2N3O
Molecular Weight:
509.1927
IUPAC Name:
5-[(2-bromophenyl)methylidene]-3-[(4-bromophenyl)methylideneamino]-2-phenylimidazol-4-one
InChI:
InChI=1S/C23H15Br2N3O/c24-19-12-10-16(11-13-19)15-26-28-22(17-6-2-1-3-7-17)27-21(23(28)29)14-18-8-4-5-9-20(18)25/h1-15H
InChI Key:
JTJNHQUJJGJNQM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C=NN1C(=NC(=Cc2ccccc2Br)C1=O)c1ccccc1
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.956g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
509.201g/mol
Monoisotopic Mass:
506.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.2
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